SCHEMBL28613602

SCHEMBL28613602

NN(N)CCN(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
AOC3 Q16853 4/20 0.40
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DHFR P00374 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4194791 0.89 KCNH2 (0.52) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL10425499 0.86 KCNH2 (0.50) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL18979892 0.80 CYP3A4 (0.62) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL150157 0.79 KCNH2 (0.45) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL28760420 0.78 KCNH2 (0.42) KCNH2MTNR1AMTNR1BAOC3KDM4E
SCHEMBL4970515 0.78 KCNH2 (0.50) KCNH2MTNR1AMTNR1BSIGMAR1
SCHEMBL138431 0.78 KCNH2 (0.50) KCNH2MTNR1AMTNR1BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL29030879 0.77 KCNH2 (0.44) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL10707846 0.77 MTNR1A (0.47) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL7523531 0.77 KCNH2 (0.44) KCNH2MTNR1AMTNR1BKDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109070488-B Method for joining metal member and thermosetting resin member, and metal member, thermosetting resin member, and thermoplastic resin sheet used in the method 马自达汽车株式会社 2021-08-20 CN disclosed